| SpectraBase Compound ID | IkxoXUa6PXT |
|---|---|
| InChI | InChI=1S/C33H53NO7/c1-10-11-13-17(2)31(41-33(34)39)23(8)28(35)19(4)16-18(3)27-22(7)29(36)20(5)25(27)14-12-15-26-21(6)30(37)24(9)32(38)40-26/h10-14,16-17,19-31,35-37H,1,15H2,2-9H3,(H2,34,39)/b13-11+,14-12+,18-16+/t17?,19?,20?,21-,22?,23?,24-,25?,26+,27?,28?,29?,30+,31?/m0/s1 |
| InChIKey | WKUKGIOEHKVKMX-IBEPDEFOSA-N |
| Mol Weight | 575.8 g/mol |
| Molecular Formula | C33H53NO7 |
| Exact Mass | 575.382203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZR1W2IPEmE |
|---|---|
| Name | 9(13)-CYCLODISCODERMOLIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H53NO7 |
| InChI | InChI=1S/C33H53NO7/c1-10-11-13-17(2)31(41-33(34)39)23(8)28(35)19(4)16-18(3)27-22(7)29(36)20(5)25(27)14-12-15-26-21(6)30(37)24(9)32(38)40-26/h10-14,16-17,19-31,35-37H,1,15H2,2-9H3,(H2,34,39)/b13-11+,14-12+,18-16+/t17?,19?,20?,21-,22?,23?,24-,25?,26+,27?,28?,29?,30+,31?/m0/s1 |
| InChIKey | WKUKGIOEHKVKMX-IBEPDEFOSA-N |
| Literature Reference Author | S.P.GUNASEKERA,G.K.PAUL,R.E.LONGLEY,R.A.ISBRUCKER,S.A.POMPON I |
| Literature Reference Citation | J.NAT.PROD.,65,1643(2002) |
| Literature Reference DOI | 10.1021/np020219m |
| Molecular Weight | 575.786 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7237 |